ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate

C14H25NO2 — CID 55232433

IUPACethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
SMILESCCOC(=O)C(C)CNCC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-3-17-14(16)10(2)8-15-9-13-7-11-4-5-12(13)6-11/h10-13,15H,3-9H2,1-2H3
InChIKeyFSMFYPOUXCBUCO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds6

About ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate

ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate (PubChem CID 55232433) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
PubChem CID55232433
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
SMILESCCOC(=O)C(C)CNCC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-3-17-14(16)10(2)8-15-9-13-7-11-4-5-12(13)6-11/h10-13,15H,3-9H2,1-2H3
InChIKeyFSMFYPOUXCBUCO-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
ethyl 2-methyl-3-(thiolan-2-ylmethylamino)propanoate
CID 80585302
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N,N-diethylacetamide
CID 63683853
ethyl 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]prop-2-enoate
CID 10703588
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate?
The IUPAC name of ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate (CID 55232433) is ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate is CCOC(=O)C(C)CNCC1CC2CCC1C2.
What is the InChIKey of ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate?
The InChIKey is FSMFYPOUXCBUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-17-14(16)10(2)8-15-9-13-7-11-4-5-12(13)6-11/h10-13,15H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate?
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate has a molecular weight of 239.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate is sourced from PubChem (CID 55232433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).